File name: Pandora55s1_QueensNY_20231222_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240123T150034.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231222_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20231222 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20231222T132323.0Z 8756.557905 166 1 38.95 2 80.64 132.38 125.28 5.40 0.00 1 0.00 1 0 17 6.330e-01 3.811e-02 2.043e-01 7.412e-03 7.826317e-01 4.245513e-03 9.210734e-03 -6.000000e+00 3.845815e-01 223.02 -2.00 3.51 -2.00 321.38 0.00e+00 9.310739e-03 2.014695e-03 3.914284e-03 -6.000000e+00 1.861443e-02 276.81 -2.00 20.00 -2.00 320.91 0.00e+00 5.850 0.004 302.00 328.00 3 2.3276e+00 1.4010e-02 7.1634e-02 -6.0000e+00 9.5379e-01 7.0358e-01 1.8033e-02 4.2146e-02 -6.0000e+00 1.0458e+00 -9.6687e-01 1.5924e-02 2.5737e-02 -6.0000e+00 6.1095e-01 4.1152e-01 7.6526e-03 1.2222e-02 -6.0000e+00 2.5455e-01 6.2169e-05 -1.1872e-03 2.1563e-04 2.1553e-04 -6.0000e+00 1.9988e-02 1.7805e-02 0.0000e+00 12 9 9 12 37 1 93.31 22.56 0.54 0.01781 0.00888 13 3 1 5 0 2781.460 25.90 20.00 22.56 2.64 34.0 933.10 -112675 -42755 -109176 900000 900000 -3899 900000 900000 900000 -118761 -106546 -116455 -136792 900000 192040 -46841 -113123 900000 900000 900000 111564 900000 900000 9815 17606 900000 45053 -20839 -1175 68228 235096 75777 72280 107343 900000 -881 -6787 184538 219279 20596 184877 -466 29718 83404 900000 17644 193221 118201 104398 45501 42116 12152 159134 104127 57633 91991 50894 27740 35906 28309 51764 24700 -1806 48639 119 30037 2502 15721 22933 -421 18080 25929 16474 -7562 2045 18632 26237 -4330 52 -4533 14631 2391 3443 -5521 -1288 -9108 -4059 -6667 -1620 -2600 -5208 -1930 -1308 -4139 -4231 -6368 -5800 -2456 -2347 -1363 -1185 -575 3935 2618 -2514 -2006 -3574 -466 2918 1314 -4100 947 -1685 -1527 -409 1011 -512 250 18 -1450 3278 3533 6290 1000 240 842 1836 500 202 1269 -95 2154 1551 1363 -612 1382 544 507 -2215 -1217 -1484 -463 -1934 -4592 -942 -4379 900000 900000 -43 900000 900000 900000 -4273 -3648 -5219 -9403 900000 1384 -2358 -11532 900000 900000 900000 1391 900000 900000 320 537 900000 1013 -858 -42 1416 1694 2050 2201 2352 900000 -51 -454 2301 2259 1588 3224 -49 2432 4154 900000 1666 3556 4626 4919 4029 4226 1764 6251 7303 6458 7604 6146 4064 4697 3929 6035 4088 -431 8015 32 6146 664 3871 5841 -147 5737 7782 5231 -2782 629 4485 5671 -1305 17 -1829 5737 1175 1818 -3336 -787 -6261 -2778 -4742 -1093 -1712 -3332 -1139 -761 -2602 -2993 -5264 -5450 -2509 -2573 -1492 -1231 -546 3355 2242 -2348 -1966 -3730 -507 3362 1699 -6051 1420 -2617 -2337 -604 1438 -743 373 27 -2327 5030 5250 8862 1429 336 1147 2444 699 310 2143 -176 4156 3140 2891 -1377 3174 1279 1201 -5313 -2827 -3299 -971 -3979 SS 20231222T133422.7Z 8756.565541 172 1 50.89 2 79.12 134.43 124.99 8.50 0.00 1 0.00 1 0 25 5.717e-01 1.638e-02 1.504e-01 2.941e-03 7.158358e-01 1.612580e-03 8.004449e-03 -6.000000e+00 3.397239e-01 223.02 -2.00 3.51 -2.00 320.87 0.00e+00 6.298491e-03 7.053457e-04 6.169336e-04 -6.000000e+00 1.577600e-02 276.81 -2.00 20.00 -2.00 320.38 0.00e+00 5.107 0.002 302.00 328.00 3 1.8554e+00 5.0650e-03 6.2934e-02 -6.0000e+00 8.3589e-01 2.0767e-01 6.7620e-03 3.8533e-02 -6.0000e+00 9.1257e-01 -2.1169e-01 6.8583e-03 2.1383e-02 -6.0000e+00 5.4041e-01 7.9191e-02 3.3419e-03 1.0928e-02 -6.0000e+00 2.2824e-01 2.3143e-04 -4.7592e-05 8.4630e-05 1.1600e-04 -6.0000e+00 1.7581e-02 1.7330e-02 0.0000e+00 12 9 8 11 4 0 62.33 22.56 0.36 0.01733 0.01697 56 11 1 5 0 908.620 25.90 20.00 22.56 3.10 34.1 935.42 -192962 900000 -228838 -97380 900000 -180741 900000 -41825 -137106 -163509 -151937 -147894 -175785 900000 -42791 -78235 -94560 900000 270137 223020 31572 12929 -65587 -11470 -6677 900000 664 -53128 -62602 -9713 15490 454 -6886 7281 111062 -12902 -11548 19457 21231 3196 17734 -8932 3012 3460 26005 -3380 26884 13389 20030 6140 7040 -3837 21832 16492 5597 11758 6593 11540 -935 6938 10131 4931 -2216 9442 -3367 4909 1438 846 3963 -98 3549 3430 -1921 5004 -558 1969 5568 -1276 -1800 -1796 1284 -1205 -1508 -3454 -1695 -2656 -1604 -2175 -1548 53 -675 855 405 -432 -504 -1156 8 -548 -370 -693 -420 342 1791 -281 -1137 -519 -1473 498 877 145 -1493 -108 -400 -477 243 1048 1367 310 -60 -1112 492 620 1012 44 197 602 1244 797 -204 629 673 647 565 508 -728 360 94 -438 -888 -477 -277 -31 -220 -3203 900000 -6024 -701 900000 -2844 900000 -209 -1862 -3058 -2847 -3298 -6615 900000 -733 -2188 -3466 900000 774 639 433 215 -2408 -271 -160 900000 15 -2038 -2765 -301 459 18 -330 315 1791 -687 -682 1026 1305 265 1421 -974 307 362 2262 -396 2480 1472 2213 837 1056 -703 3445 2940 1153 2375 1409 2330 -207 1436 2151 1217 -657 2762 -1152 1558 474 295 1491 -42 1594 1577 -907 2093 -226 720 1908 -487 -773 -895 712 -758 -1023 -2511 -1278 -2118 -1316 -1823 -1278 42 -511 609 286 -320 -414 -1077 9 -627 -448 -842 -485 363 1779 -284 -1204 -572 -1705 603 1139 206 -2305 -173 -643 -752 369 1551 2024 476 -95 -1824 791 971 1540 66 287 851 1726 1149 -319 1072 1225 1236 1122 1050 -1579 802 213 -1001 -2034 -1064 -597 -63 -443 SS 20231222T134020.8Z 8756.569686 175 1 50.87 2 78.32 135.56 124.80 10.16 0.00 1 0.00 1 0 25 5.144e-01 1.347e-02 1.468e-01 2.464e-03 6.760375e-01 1.323704e-03 7.635057e-03 -6.000000e+00 3.022074e-01 223.02 -2.00 3.51 -2.00 320.59 0.00e+00 4.415282e-03 5.344452e-04 5.249604e-04 -6.000000e+00 1.339523e-02 276.81 -2.00 20.00 -2.00 320.09 0.00e+00 4.785 0.002 302.00 328.00 3 1.9287e+00 4.0255e-03 5.8958e-02 -6.0000e+00 7.4431e-01 1.4052e-01 5.2338e-03 3.5773e-02 -6.0000e+00 8.1103e-01 -1.2314e-01 5.2057e-03 1.9127e-02 -6.0000e+00 4.8150e-01 4.2190e-02 2.5847e-03 8.4960e-03 -6.0000e+00 2.0461e-01 3.0801e-04 -2.3960e-04 7.0898e-05 8.9129e-05 -6.0000e+00 1.5749e-02 1.8321e-02 0.0000e+00 12 9 8 11 4 0 93.72 22.56 0.14 0.01832 0.01652 57 11 1 5 0 892.280 25.90 20.00 22.56 3.24 34.0 935.85 -179815 900000 -219185 18248 -14658 -135599 900000 -94251 -103607 -169251 -75498 -121780 -122745 900000 17150 -67476 29015 187982 111346 34690 21171 32525 -55406 -4370 -24300 314182 -17669 -18505 -45233 -8133 5852 -1724 -11579 -3039 68845 -22445 -13737 3753 19286 -6145 7544 -9574 -440 2596 14746 -2488 11544 12166 8874 4694 2701 566 11799 11124 2032 8756 5241 5641 3109 2854 6877 2789 -216 3278 -1422 3959 52 1689 1841 -774 1648 2738 -3067 3275 -1770 1699 2784 122 -1751 -1245 952 -1848 -550 -2943 -1390 -2335 -843 -1385 -585 -759 -335 404 1218 119 -562 -206 -317 -223 -555 -292 -607 591 1514 376 -1060 -794 -1057 -202 893 -145 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